CID 11983470

3-[cyclohexyl(methyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CN(CCC(=O)O)C1CCCCC1
InChI
InChI=1S/C10H19NO2/c1-11(8-7-10(12)13)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13)
InChIKey
KDWYJFLCPZFYFB-UHFFFAOYSA-N
Compound name
3-[cyclohexyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

185.14159 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 143.8
[M+Na]+ 208.130808 146.5
[M-H]- 184.134314 146.1
[M+NH4]+ 203.175413 162.7
[M+K]+ 224.104748 146.3
[M+H-H2O]+ 168.138850 137.5
[M+HCOO]- 230.139791 163.3
[M+CH3COO]- 244.155441 185.2
[M+Na-2H]- 206.116256 146.2
[M]+ 185.14104142 139.8
[M]- 185.14213858 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe